ethyl 5-(ethylcarbamothioylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(ethylcarbamothioylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-(ethylcarbamothioylamino)-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[ethylamino(sulfanylidene)methyl]amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(ethylcarbamothioylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate Traditional Name: 5-(ethylthiocarbamoylamino)-1-(4-methyl-2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C=NN1C2=NC3=CC=CC=C3C(=C2)C)C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=C(C=NN1C2=NC3=CC=CC=C3C(=C2)C)C(=O)OCC

InChI

InChI=1S/C19H21N5O2S/c1-4-20-19(27)23-17-14(18(25)26-5-2)11-21-24(17)16-10-12(3)13-8-6-7-9-15(13)22-16/h6-11H,4-5H2,1-3H3,(H2,20,23,27)